Marvin 02070716132D 37 37 0 0 0 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 1 2 0 0 0 0 4 3 1 0 0 0 0 4 14 1 0 0 0 0 5 4 2 0 0 0 0 1 5 1 0 0 0 0 5 21 1 0 0 0 0 6 2 1 0 0 0 0 6 3 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 10 9 2 0 0 0 0 12 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 17 16 2 0 0 0 0 19 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 25 24 2 0 0 0 0 27 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 36 1 0 0 0 0 34 33 1 0 0 0 0 36 34 1 0 0 0 0 34 35 2 0 0 0 0 36 37 1 1 0 0 0 M CHG 1 6 1 M END > CHEBI:37628 > desmosine > 3 > Des > 4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium > C24H40N5O8 > 526.60330 > 526.28714 > 1 > N[C@@H](CCCC[n+]1cc(CC[C@H](N)C(O)=O)c(CCC[C@H](N)C(O)=O)c(CC[C@H](N)C(O)=O)c1)C(O)=O > InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1 > VEVRNHHLCPGNDU-MUGJNUQGSA-O > 4074277 > 11003-57-9 > 11003-57-9 $$$$